SCHEMBL28748682

SCHEMBL28748682

COc1ccc2nn(-c3ccccc3)c(CC(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.44
PLA2G2A P14555 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
PLA2G1B P04054 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1921251 0.82 PLA2G2A (0.47) MPOKDM4EALDH1A1HPGDKMT2A
SCHEMBL28748639 0.81 POLB (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL28748643 0.81 KDM4E (0.46) MPOKDM4EMAPTLMNAAKR1B1
SCHEMBL28748679 0.81 GRM5 (0.40) ALDH1A1MEN1KMT2AMAPTPLA2G2A
SCHEMBL29028732 0.80 MPO (0.45) MPOKDM4EALDH1A1MEN1HPGD
SCHEMBL28748684 0.80 ABCB1 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1921361 0.80 MPO (0.47) MPOKDM4EALDH1A1NPC1MAPT
SCHEMBL28941443 0.77 PTGDR2 (0.43) KDM4ENPC1RAB9ALMNAPLA2G2A
SCHEMBL1921731 0.74 PLA2G2A (0.40) MPOALDH1A1KMT2ANPC1MAPT
SCHEMBL22780224 0.74 MPO (0.52) MPOKDM4EALDH1A1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698349-B Aqueous phase photocatalysis preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compound 河南师范大学 2023-08-01 CN disclosed
CN-113698349-A Water-phase photocatalytic preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compounds 河南师范大学 2021-11-26 CN disclosed